[1-(1-methylbenzimidazol-2-yl)cyclobutyl]methanamine

C13H17N3 — CID 115445727

IUPAC[1-(1-methylbenzimidazol-2-yl)cyclobutyl]methanamine
SMILESCn1c(C2(CN)CCC2)nc2ccccc21
InChIInChI=1S/C13H17N3/c1-16-11-6-3-2-5-10(11)15-12(16)13(9-14)7-4-8-13/h2-3,5-6H,4,7-9,14H2,1H3
InChIKeyUQAZVKXWZQAJQS-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.95
Rot. Bonds2

About [1-(1-methylbenzimidazol-2-yl)cyclobutyl]methanamine

[1-(1-methylbenzimidazol-2-yl)cyclobutyl]methanamine (PubChem CID 115445727) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is [1-(1-methylbenzimidazol-2-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(1-methylbenzimidazol-2-yl)cyclobutyl]methanamine
PubChem CID115445727
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name[1-(1-methylbenzimidazol-2-yl)cyclobutyl]methanamine
SMILESCn1c(C2(CN)CCC2)nc2ccccc21
InChIInChI=1S/C13H17N3/c1-16-11-6-3-2-5-10(11)15-12(16)13(9-14)7-4-8-13/h2-3,5-6H,4,7-9,14H2,1H3
InChIKeyUQAZVKXWZQAJQS-UHFFFAOYSA-N
XLogP1.95
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1-methylbenzimidazol-2-yl)cyclohexyl]methanamine
CID 113309672
[1-(1-methylbenzimidazol-2-yl)cycloheptyl]methanamine
CID 115443651
[4-methyl-1-(1-methylbenzimidazol-2-yl)cyclohexyl]methanamine
CID 115441203
[1-(1-propylbenzimidazol-2-yl)cyclohexyl]methanamine
CID 115436209
[1-(1-methylimidazo[4,5-c]pyridin-2-yl)cycloheptyl]methanamine
CID 115443687
[1-(7-chloro-1-methylbenzimidazol-2-yl)cyclobutyl]methanamine
CID 113311165
[1-(6-fluoro-1-methylbenzimidazol-2-yl)cyclohexyl]methanamine
CID 115436253
[1-(4-fluoro-1-methylbenzimidazol-2-yl)cyclopentyl]methanamine
CID 113309172
[1-(5-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]methanamine
CID 115450556
2-[1-(aminomethyl)cyclopropyl]-3-methylquinazolin-4-one
CID 84792832
[1-[1-(2-methoxyethyl)benzimidazol-2-yl]cyclopropyl]methanamine
CID 115450576
[1-(7-chloro-1-methylbenzimidazol-2-yl)cyclopropyl]methanamine
CID 115450565

Frequently Asked Questions

What is the IUPAC name of [1-(1-methylbenzimidazol-2-yl)cyclobutyl]methanamine?
The IUPAC name of [1-(1-methylbenzimidazol-2-yl)cyclobutyl]methanamine (CID 115445727) is [1-(1-methylbenzimidazol-2-yl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(1-methylbenzimidazol-2-yl)cyclobutyl]methanamine?
The canonical SMILES for [1-(1-methylbenzimidazol-2-yl)cyclobutyl]methanamine is Cn1c(C2(CN)CCC2)nc2ccccc21.
What is the InChIKey of [1-(1-methylbenzimidazol-2-yl)cyclobutyl]methanamine?
The InChIKey is UQAZVKXWZQAJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-16-11-6-3-2-5-10(11)15-12(16)13(9-14)7-4-8-13/h2-3,5-6H,4,7-9,14H2,1H3.
What are the key properties of [1-(1-methylbenzimidazol-2-yl)cyclobutyl]methanamine?
[1-(1-methylbenzimidazol-2-yl)cyclobutyl]methanamine has a molecular weight of 215.30 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methylbenzimidazol-2-yl)cyclobutyl]methanamine is sourced from PubChem (CID 115445727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).